METHYL-3,4-BIS-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOATE

SpectraBase Compound ID	6LJtGv2Bqnk
InChI	InChI=1S/C98H140O12/c1-6-10-14-18-22-26-30-34-38-42-68-101-88-57-46-81(47-58-88)75-105-92-65-54-85(72-95(92)108-77-83-50-61-90(62-51-83)103-70-44-40-36-32-28-24-20-16-12-8-3)79-107-94-67-56-87(98(99)100-5)74-97(94)110-80-86-55-66-93(106-76-82-48-59-89(60-49-82)102-69-43-39-35-31-27-23-19-15-11-7-2)96(73-86)109-78-84-52-63-91(64-53-84)104-71-45-41-37-33-29-25-21-17-13-9-4/h46-67,72-74H,6-45,68-71,75-80H2,1-5H3
InChIKey	DYPDNLHZHQZBMK-UHFFFAOYSA-N Google Search
Mol Weight	1510.2 g/mol
Molecular Formula	C98H140O12
Exact Mass	1509.03448 g/mol

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SpectraBase Spectrum ID	3gZoVJmYmT2
Name	METHYL-3,4-BIS-[3',4'-BIS-[PARA-(N-DODECAN-1-YLOXY)-BENZYLOXY]-BENZYLOXY]-BENZOATE
Compound Number	4
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C98H140O12
InChI	InChI=1S/C98H140O12/c1-6-10-14-18-22-26-30-34-38-42-68-101-88-57-46-81(47-58-88)75-105-92-65-54-85(72-95(92)108-77-83-50-61-90(62-51-83)103-70-44-40-36-32-28-24-20-16-12-8-3)79-107-94-67-56-87(98(99)100-5)74-97(94)110-80-86-55-66-93(106-76-82-48-59-89(60-49-82)102-69-43-39-35-31-27-23-19-15-11-7-2)96(73-86)109-78-84-52-63-91(64-53-84)104-71-45-41-37-33-29-25-21-17-13-9-4/h46-67,72-74H,6-45,68-71,75-80H2,1-5H3
InChIKey	DYPDNLHZHQZBMK-UHFFFAOYSA-N
Literature Reference Author	V.PERCEC,W.D.CHO,G.UNGAR,D.J.P.YEARDLEY
Literature Reference Citation	J.AM.CHEM.SOC.,123,1302(2001)
Literature Reference DOI	10.1021/ja0037771
Molecular Weight	1510.182 g/mol
Solvent	CDCl3
Source File Reference	UWSI23525